N-(4-chlorophenyl)-2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(4-chlorophenyl)-2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(4-chlorophenyl)-2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(4-chlorophenyl)-2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(4-chlorophenyl)-2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(4-chlorophenyl)-2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]propionamide Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SC(C)C(=O)NC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SC(C)C(=O)NC2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C16H15ClN4O2S/c1-3-13-12(8-18)15(23)21-16(20-13)24-9(2)14(22)19-11-6-4-10(17)5-7-11/h4-7,9H,3H2,1-2H3,(H,19,22)(H,20,21,23)